[4-[(Z)-[[2-[(4-nitrobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate

C23H18N4O6 — CID 6016188

IUPAC[4-[(Z)-[[2-[(4-nitrobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H18N4O6/c28-21(15-24-22(29)17-8-10-19(11-9-17)27(31)32)26-25-14-16-6-12-20(13-7-16)33-23(30)18-4-2-1-3-5-18/h1-14H,15H2,(H,24,29)(H,26,28)/b25-14-
InChIKeyVNRLZXAZXOYAHS-QFEZKATASA-N
MW446.42 g/mol
LogP2.69
Rot. Bonds8

About [4-[(Z)-[[2-[(4-nitrobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate

[4-[(Z)-[[2-[(4-nitrobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate (PubChem CID 6016188) has the molecular formula C23H18N4O6 and a molecular weight of 446.42 g/mol. Its IUPAC name is [4-[(Z)-[[2-[(4-nitrobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[(Z)-[[2-[(4-nitrobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
PubChem CID6016188
Molecular FormulaC23H18N4O6
Molecular Weight446.42 g/mol
Exact Mass446.12
IUPAC Name[4-[(Z)-[[2-[(4-nitrobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H18N4O6/c28-21(15-24-22(29)17-8-10-19(11-9-17)27(31)32)26-25-14-16-6-12-20(13-7-16)33-23(30)18-4-2-1-3-5-18/h1-14H,15H2,(H,24,29)(H,26,28)/b25-14-
InChIKeyVNRLZXAZXOYAHS-QFEZKATASA-N
XLogP2.69
TPSA140.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[[2-[(4-nitrobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [4-[(Z)-[[2-[(4-nitrobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate (CID 6016188) is [4-[(Z)-[[2-[(4-nitrobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [4-[(Z)-[[2-[(4-nitrobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [4-[(Z)-[[2-[(4-nitrobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(Z)-[[2-[(4-nitrobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is VNRLZXAZXOYAHS-QFEZKATASA-N. The full InChI is InChI=1S/C23H18N4O6/c28-21(15-24-22(29)17-8-10-19(11-9-17)27(31)32)26-25-14-16-6-12-20(13-7-16)33-23(30)18-4-2-1-3-5-18/h1-14H,15H2,(H,24,29)(H,26,28)/b25-14-.
What are the key properties of [4-[(Z)-[[2-[(4-nitrobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate?
[4-[(Z)-[[2-[(4-nitrobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 446.42 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[[2-[(4-nitrobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 6016188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).